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. 2018 Jul 27;23(8):1876. doi: 10.3390/molecules23081876

Table 2.

Chemical structures of compounds A, B, C and D, chemical structures of some previously reported aggregators, and the corresponding Tanimoto similarity index values (%), obtained using Aggregator Advisor tool [5].

Compound (ID) Structure Previously Reported Aggregator (Structure) Tanimoto Similarity Index Value (%) 1 Reference
A graphic file with name molecules-23-01876-i005.jpg graphic file with name molecules-23-01876-i006.jpg 72 [2]
B graphic file with name molecules-23-01876-i007.jpg graphic file with name molecules-23-01876-i008.jpg 72 [2]
C graphic file with name molecules-23-01876-i009.jpg n.s.2
D graphic file with name molecules-23-01876-i010.jpg graphic file with name molecules-23-01876-i011.jpg 81 [2]

1 Values calculated using Aggregator Advisor Tool (online available at http://advisor.bkslab.org/) [5]. 2 n.s. means not similar to any compound from Aggregator Advisor database.